srDFT_G2/Data/data_srDFT/data_VTZ/data_C2H4_cc-pVTZ
2018-12-19 11:48:30 +01:00

4 lines
150 B
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0843373095 -0.0837835814
0.000001 0.000001 -0.0845094304 -0.0843418756